ChemSpider 2D Image | O-5''-beta-D-mannosylqueuosine | C23H33N5O12

O-5''-β-D-mannosylqueuosine

  • Molecular FormulaC23H33N5O12
  • Average mass571.534 Da
  • Monoisotopic mass571.212585 Da
  • ChemSpider ID28184617

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,2S,5S)-2-({[2-Amino-4-oxo-7-(β-D-ribofuranosyl)-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl}amino)-5-hydroxy-3-cyclopenten-1-yl β-D-mannopyranoside [ACD/IUPAC Name]
(1R,2S,5S)-2-({[2-Amino-4-oxo-7-(β-D-ribofuranosyl)-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl}amino)-5-hydroxy-3-cyclopenten-1-yl-β-D-mannopyranosid [German] [ACD/IUPAC Name]
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-3,7-dihydro-5-[[[(1S,4S,5R)-4-hydroxy-5-(β-D-mannopyranosyloxy)-2-cyclopenten-1-yl]amino]methyl]-7-β-D-ribofuranosyl- [ACD/Index Name]
O-5''-β-D-mannosylqueuosine
β-D-Mannopyranoside de (1R,2S,5S)-2-({[2-amino-4-oxo-7-(β-D-ribofuranosyl)-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]méthyl}amino)-5-hydroxy-3-cyclopentén-1-yle [French] [ACD/IUPAC Name]
(1R,2S,5S)-2-({[2-amino-4-oxo-7-(β-D-ribofuranosyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl}amino)-5-hydroxycyclopent-3-en-1-yl β-D-mannopyranoside
man q
β-D-mannosylqueuosine
  • Miscellaneous

    • Chemical Class:

      A 7-deazaguanine ribonucleoside that is queuosine having a <stereo>beta</stereo>-<stereo>D</stereo>-mannosyl residue attached at position 5''. ChEBI CHEBI:64306

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.843
Molar Refractivity: 122.7±0.5 cm3
#H bond acceptors: 17
#H bond donors: 12
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.34
ACD/LogD (pH 5.5): -6.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 274 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 101.8±7.0 dyne/cm
Molar Volume: 276.2±7.0 cm3

Click to predict properties on the Chemicalize site


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